methyl 2-morpholin-4-ylcarbonyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzoate

Systemtic Name: methyl 2-morpholin-4-ylcarbonyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzoate Openeye Name: methyl 2-(morpholine-4-carbonyl)-5-[2-(2-pyridylamino)thiazol-5-yl]sulfanyl-benzoate CAS Name: 2-[4-morpholinyl(oxo)methyl]-5-[[2-(2-pyridinylamino)-5-thiazolyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-(morpholine-4-carbonyl)-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzoate Traditional Name: 2-(morpholine-4-carbonyl)-5-[[2-(2-pyridylamino)thiazol-5-yl]thio]benzoic acid methyl ester Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)SC2=CN=C(S2)NC3=CC=CC=N3)C(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)SC2=CN=C(S2)NC3=CC=CC=N3)C(=O)N4CCOCC4

InChI

InChI=1S/C21H20N4O4S2/c1-28-20(27)16-12-14(5-6-15(16)19(26)25-8-10-29-11-9-25)30-18-13-23-21(31-18)24-17-4-2-3-7-22-17/h2-7,12-13H,8-11H2,1H3,(H,22,23,24)